1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide

C14H17BrN2O — CID 156593877

IUPAC1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide
SMILESBr.COc1ccc(CNCc2ccncc2)cc1
InChIInChI=1S/C14H16N2O.BrH/c1-17-14-4-2-12(3-5-14)10-16-11-13-6-8-15-9-7-13;/h2-9,16H,10-11H2,1H3;1H
InChIKeyHCEOAPTZOVPMQK-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.96
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide

1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide (PubChem CID 156593877) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide
PubChem CID156593877
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide
SMILESBr.COc1ccc(CNCc2ccncc2)cc1
InChIInChI=1S/C14H16N2O.BrH/c1-17-14-4-2-12(3-5-14)10-16-11-13-6-8-15-9-7-13;/h2-9,16H,10-11H2,1H3;1H
InChIKeyHCEOAPTZOVPMQK-UHFFFAOYSA-N
XLogP2.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
3-[(4-methoxyphenyl)methylamino]-4-(pyridin-4-ylmethylamino)cyclobut-3-ene-1,2-dione
CID 53369414
1-(4-methoxyphenyl)-N-(pyrazin-2-ylmethyl)methanamine
CID 62761074
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-4-ylmethanamine
CID 110652939
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 28670478
N-(bromomethyl)-1-(4-methoxyphenyl)methanamine
CID 115261836
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride
CID 53351776
2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007
N-[(3-methoxy-5-nitrophenyl)methyl]-1-pyridin-4-ylmethanamine
CID 81149981

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide?
The IUPAC name of 1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide (CID 156593877) is 1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide is Br.COc1ccc(CNCc2ccncc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide?
The InChIKey is HCEOAPTZOVPMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O.BrH/c1-17-14-4-2-12(3-5-14)10-16-11-13-6-8-15-9-7-13;/h2-9,16H,10-11H2,1H3;1H.
What are the key properties of 1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide?
1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide has a molecular weight of 309.21 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide is sourced from PubChem (CID 156593877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).